SCHEMBL16611124

SCHEMBL16611124

COC(=O)c1cccc(Nc2cn(C3CCCC3)c3c(C#N)cnc(OC)c23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.40
ERBB2 P04626 3/20 0.40
AURKA O14965 1/20 0.40
PIK3CD O00329 2/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 2/20 0.37
PRKDC P78527 2/20 0.37
MTOR P42345 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
SRC P12931 1/20 0.37
FGFR4 P22455 1/20 0.36
ERBB3 P21860 1/20 0.36
TEK Q02763 1/20 0.36
ERBB4 Q15303 1/20 0.36
MAPT P10636 1/20 0.36
PTK2 Q05397 2/20 0.36
ROCK1 Q13464 1/20 0.36
RAB9A P51151 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16610713 0.93 AURKA (0.47) EGFRERBB2AURKAPIK3CDPIK3R1
SCHEMBL16611426 0.93 EGFR (0.48) EGFRERBB2AURKAPIK3CDPIK3R1
SCHEMBL16610711 0.77 EGFR (0.42) EGFRERBB2PIK3CDPIK3CAPRKDC
SCHEMBL16611574 0.73 RORC (0.36) EGFRERBB2PIK3CDPIK3R1ABL1
SCHEMBL16611439 0.72 NEK2 (0.38) EGFRERBB2AURKACDK2
SCHEMBL16611226 0.72 SRC (0.44) EGFRMTORL3MBTL1ABL1SRC
SCHEMBL16611505 0.71 SRC (0.39) EGFRABL1BCRSRCFGFR4
SCHEMBL16611095 0.71 SQOR (0.36) EGFRPIK3CDABL1SRCTEK
SCHEMBL16610877 0.70 SRC (0.46) EGFRMTORL3MBTL1ABL1BCR
SCHEMBL16611165 0.69 ABL1 (0.41) EGFRABL1BCRSRCFGFR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 EGFR 4532/4885ERBB2 4042/4885AURKA 2277/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 EGFR 4532/4885ERBB2 4042/4885AURKA 2277/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.